N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)butyramide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c19-14-8-9-15-16(11-14)25-18(20-15)21-17(22)7-4-10-26(23,24)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21,22)